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321913-54-6

321913-54-6 structural image
Product Name: Etoricoxib Impurity 42
Formula: C16H14N2OS
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COMPUTED DESCRIPTORS

Molecular Weight 282.4 g/mol
XLogP3 3
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 4
Exact Mass 282.08268425 g/mol
Monoisotopic Mass 282.08268425 g/mol
Topological Polar Surface Area 79 Ų
Heavy Atom Count 20
Formal Charge 0
Complexity 381
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes